N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine

C17H31NOS — CID 107558214

IUPACN-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCCCCCCOCc1ccc(CNC(C)C)s1
InChIInChI=1S/C17H31NOS/c1-4-5-6-7-8-9-12-19-14-17-11-10-16(20-17)13-18-15(2)3/h10-11,15,18H,4-9,12-14H2,1-3H3
InChIKeyCTHNPTXGTLMUPN-UHFFFAOYSA-N
MW297.51 g/mol
LogP5.12
Rot. Bonds12

About N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine

N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107558214) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID107558214
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC NameN-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCCCCCCOCc1ccc(CNC(C)C)s1
InChIInChI=1S/C17H31NOS/c1-4-5-6-7-8-9-12-19-14-17-11-10-16(20-17)13-18-15(2)3/h10-11,15,18H,4-9,12-14H2,1-3H3
InChIKeyCTHNPTXGTLMUPN-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
2-bromo-5-(octoxymethyl)thiophene
CID 63457717
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558038
N-[[3-bromo-4-(hexoxymethyl)phenyl]methyl]propan-2-amine
CID 102772539
N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558977
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
N-[[5-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559038
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
2-chloro-5-(hexoxymethyl)-1,3-thiazole
CID 79765509
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559158

Frequently Asked Questions

What is the IUPAC name of N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 107558214) is N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine is CCCCCCCCOCc1ccc(CNC(C)C)s1.
What is the InChIKey of N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is CTHNPTXGTLMUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOS/c1-4-5-6-7-8-9-12-19-14-17-11-10-16(20-17)13-18-15(2)3/h10-11,15,18H,4-9,12-14H2,1-3H3.
What are the key properties of N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 297.51 g/mol, XLogP of 5.12, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107558214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).